CID 6245779

497942-47-9

Structural Information

Molecular Formula
C30H25N3O4
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=NC=C5)/O
InChI
InChI=1S/C30H25N3O4/c1-20-16-24(37-19-21-6-3-2-4-7-21)9-10-25(20)28(34)26-27(23-11-14-31-15-12-23)33(30(36)29(26)35)18-22-8-5-13-32-17-22/h2-17,27,34H,18-19H2,1H3/b28-26+
InChIKey
HBPRESKSFZPJCL-BYCLXTJYSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.1845 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.19178 221.2
[M+Na]+ 514.17372 226.5
[M-H]- 490.17722 231.5
[M+NH4]+ 509.21832 223.5
[M+K]+ 530.14766 218.4
[M+H-H2O]+ 474.18176 207.2
[M+HCOO]- 536.18270 235.7
[M+CH3COO]- 550.19835 227.3
[M+Na-2H]- 512.15917 217.0
[M]+ 491.18395 219.8
[M]- 491.18505 219.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.